compound 0227382

Properties Image MNX_ID MNXM1191051 reference envipathM:...d5df05de39ae formula C9H8NO6 global charge -1 mol weight 226.164 InChIKey HBJOZAURXIMUQR-ORCRQEGFSA-M InChI InChI=1S/C9H9NO6/c11-3-6(13)7-4(2-10-8(7)14)1-5(12)9(15)16/h1-3,6,10,12-14H,(H,15,16)/p-1/b5-1+ SMILES O=CC(O)C1=C(O)NC=C1/C=C(/O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C9H9NO6/c11-3-6(13)7-4(2-10-8(7)14)1-5(12)9(15)16/h1-3,6,10,12-14H,(H,15,16)/b5-1+/t6? SMILES (mnx) [CH:1](\[C:4]1=[CH:2][NH:10][C:8]([OH:14])=[C:7]1[CH:6]([CH:3]=[O:11])[OH:13])=[C:5](\[C:9](=[O:15])[OH:16])[OH:12]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0